1-[(4-fluorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]sulfanyl-benzimidazole

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]sulfanyl-benzimidazole Openeye Name: 1-[(4-fluorophenyl)methyl]-2-[[1-(p-tolylsulfonyl)-4-piperidyl]sulfanyl]benzimidazole CAS Name: 1-[(4-fluorophenyl)methyl]-2-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]thio]benzimidazole IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]sulfanylbenzimidazole Traditional Name: 1-(4-fluorobenzyl)-2-[(1-tosyl-4-piperidyl)thio]benzimidazole Formula: C26H26FN3O2S2 MolecularWeight: 495.631943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)SC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)SC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C26H26FN3O2S2/c1-19-6-12-23(13-7-19)34(31,32)29-16-14-22(15-17-29)33-26-28-24-4-2-3-5-25(24)30(26)18-20-8-10-21(27)11-9-20/h2-13,22H,14-18H2,1H3